BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 118 hits Enz. Inhib. hit(s) with all data for entry = 50030598   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50298801
PNG
((+/-)-5-(3-(5-methoxy-3',5'-dimethylbiphenyl-3-yl)...)
Show SMILES COc1cc(cc(c1)-c1cc(C)cc(C)c1)C(C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1/C24H26N4O/c1-14-8-15(2)10-19(9-14)20-11-18(12-21(13-20)29-5)16(3)6-7-22-17(4)27-24(26)28-23(22)25/h8-13,16H,1-5H3,(H4,25,26,27,28)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 17n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Bioorg Med Chem 17: 4866-72 (2009)


Article DOI: 10.1016/j.bmc.2009.06.021
BindingDB Entry DOI: 10.7270/Q2JM29P7
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50298811
PNG
((S)-5-(3-(5-methoxy-3',5'-dimethylbiphenyl-3-yl)bu...)
Show SMILES COc1cc(cc(c1)-c1cc(C)cc(C)c1)[C@H](C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1/C24H26N4O/c1-14-8-15(2)10-19(9-14)20-11-18(12-21(13-20)29-5)16(3)6-7-22-17(4)27-24(26)28-23(22)25/h8-13,16H,1-5H3,(H4,25,26,27,28)/t16-/s2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 17n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Bioorg Med Chem 17: 4866-72 (2009)


Article DOI: 10.1016/j.bmc.2009.06.021
BindingDB Entry DOI: 10.7270/Q2JM29P7
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50298810
PNG
((R)-5-(3-(5-methoxy-3',5'-dimethylbiphenyl-3-yl)bu...)
Show SMILES COc1cc(cc(c1)-c1cc(C)cc(C)c1)[C@@H](C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1/C24H26N4O/c1-14-8-15(2)10-19(9-14)20-11-18(12-21(13-20)29-5)16(3)6-7-22-17(4)27-24(26)28-23(22)25/h8-13,16H,1-5H3,(H4,25,26,27,28)/t16-/s2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 17n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Bioorg Med Chem 17: 4866-72 (2009)


Article DOI: 10.1016/j.bmc.2009.06.021
BindingDB Entry DOI: 10.7270/Q2JM29P7
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM26521
PNG
(6-ethyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-y...)
Show SMILES CCc1nc(N)nc(N)c1C#CCc1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C18H22N4O3/c1-5-13-12(17(19)22-18(20)21-13)8-6-7-11-9-14(23-2)16(25-4)15(10-11)24-3/h9-10H,5,7H2,1-4H3,(H4,19,20,21,22)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Bioorg Med Chem 17: 4866-72 (2009)


Article DOI: 10.1016/j.bmc.2009.06.021
BindingDB Entry DOI: 10.7270/Q2JM29P7
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50298805
PNG
((+/-)-6-ethyl-5-(3-(3,4,5-trimethoxyphenyl)but-1-y...)
Show SMILES CCc1nc(N)nc(N)c1C#CC(C)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1/C19H24N4O3/c1-6-14-13(18(20)23-19(21)22-14)8-7-11(2)12-9-15(24-3)17(26-5)16(10-12)25-4/h9-11H,6H2,1-5H3,(H4,20,21,22,23)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Bioorg Med Chem 17: 4866-72 (2009)


Article DOI: 10.1016/j.bmc.2009.06.021
BindingDB Entry DOI: 10.7270/Q2JM29P7
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50298812
PNG
((R)-6-ethyl-5-(3-(3,4,5-trimethoxyphenyl)but-1-yny...)
Show SMILES CCc1nc(N)nc(N)c1C#C[C@H](C)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1/C19H24N4O3/c1-6-14-13(18(20)23-19(21)22-14)8-7-11(2)12-9-15(24-3)17(26-5)16(10-12)25-4/h9-11H,6H2,1-5H3,(H4,20,21,22,23)/t11-/s2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Bioorg Med Chem 17: 4866-72 (2009)


Article DOI: 10.1016/j.bmc.2009.06.021
BindingDB Entry DOI: 10.7270/Q2JM29P7
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50298813
PNG
((S)-6-ethyl-5-(3-(3,4,5-trimethoxyphenyl)but-1-yny...)
Show SMILES CCc1nc(N)nc(N)c1C#C[C@@H](C)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1/C19H24N4O3/c1-6-14-13(18(20)23-19(21)22-14)8-7-11(2)12-9-15(24-3)17(26-5)16(10-12)25-4/h9-11H,6H2,1-5H3,(H4,20,21,22,23)/t11-/s2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Bioorg Med Chem 17: 4866-72 (2009)


Article DOI: 10.1016/j.bmc.2009.06.021
BindingDB Entry DOI: 10.7270/Q2JM29P7
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50298814
PNG
((R)-5-(3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1-y...)
Show SMILES COc1cc(cc(c1)-c1ccc(C)cc1)[C@@H](C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1/C23H24N4O/c1-14-5-8-17(9-6-14)19-11-18(12-20(13-19)28-4)15(2)7-10-21-16(3)26-23(25)27-22(21)24/h5-6,8-9,11-13,15H,1-4H3,(H4,24,25,26,27)/t15-/s2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 22n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Bioorg Med Chem 17: 4866-72 (2009)


Article DOI: 10.1016/j.bmc.2009.06.021
BindingDB Entry DOI: 10.7270/Q2JM29P7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50298815
PNG
((S)-5-(3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1-y...)
Show SMILES COc1cc(cc(c1)-c1ccc(C)cc1)[C@H](C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1/C23H24N4O/c1-14-5-8-17(9-6-14)19-11-18(12-20(13-19)28-4)15(2)7-10-21-16(3)26-23(25)27-22(21)24/h5-6,8-9,11-13,15H,1-4H3,(H4,24,25,26,27)/t15-/s2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 22n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Bioorg Med Chem 17: 4866-72 (2009)


Article DOI: 10.1016/j.bmc.2009.06.021
BindingDB Entry DOI: 10.7270/Q2JM29P7
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50298800
PNG
((+/-)-5-(3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1...)
Show SMILES COc1cc(cc(c1)-c1ccc(C)cc1)C(C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1/C23H24N4O/c1-14-5-8-17(9-6-14)19-11-18(12-20(13-19)28-4)15(2)7-10-21-16(3)26-23(25)27-22(21)24/h5-6,8-9,11-13,15H,1-4H3,(H4,24,25,26,27)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 22n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Bioorg Med Chem 17: 4866-72 (2009)


Article DOI: 10.1016/j.bmc.2009.06.021
BindingDB Entry DOI: 10.7270/Q2JM29P7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50298816
PNG
(5-((3R)-3-(2-methoxy-2'-methylbiphenyl-4-yl)but-1-...)
Show SMILES COc1cc(ccc1-c1ccccc1C)[C@@H](C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1/C23H24N4O/c1-14(9-11-19-16(3)26-23(25)27-22(19)24)17-10-12-20(21(13-17)28-4)18-8-6-5-7-15(18)2/h5-8,10,12-14H,1-4H3,(H4,24,25,26,27)/t14-/s2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 27n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Bioorg Med Chem 17: 4866-72 (2009)


Article DOI: 10.1016/j.bmc.2009.06.021
BindingDB Entry DOI: 10.7270/Q2JM29P7
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM25823
PNG
(5-{3-[3-methoxy-4-(2-methylphenyl)phenyl]but-1-yn-...)
Show SMILES COc1cc(ccc1-c1ccccc1C)C(C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1/C23H24N4O/c1-14(9-11-19-16(3)26-23(25)27-22(19)24)17-10-12-20(21(13-17)28-4)18-8-6-5-7-15(18)2/h5-8,10,12-14H,1-4H3,(H4,24,25,26,27)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 27n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Bioorg Med Chem 17: 4866-72 (2009)


Article DOI: 10.1016/j.bmc.2009.06.021
BindingDB Entry DOI: 10.7270/Q2JM29P7
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50298817
PNG
(5-((3S)-3-(2-methoxy-2'-methylbiphenyl-4-yl)but-1-...)
Show SMILES COc1cc(ccc1-c1ccccc1C)[C@H](C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1/C23H24N4O/c1-14(9-11-19-16(3)26-23(25)27-22(19)24)17-10-12-20(21(13-17)28-4)18-8-6-5-7-15(18)2/h5-8,10,12-14H,1-4H3,(H4,24,25,26,27)/t14-/s2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 27n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Bioorg Med Chem 17: 4866-72 (2009)


Article DOI: 10.1016/j.bmc.2009.06.021
BindingDB Entry DOI: 10.7270/Q2JM29P7
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50298819
PNG
((S)-5-(3-(4',5-dimethoxybiphenyl-3-yl)but-1-ynyl)-...)
Show SMILES COc1ccc(cc1)-c1cc(OC)cc(c1)[C@H](C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1/C23H24N4O2/c1-14(5-10-21-15(2)26-23(25)27-22(21)24)17-11-18(13-20(12-17)29-4)16-6-8-19(28-3)9-7-16/h6-9,11-14H,1-4H3,(H4,24,25,26,27)/t14-/s2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Bioorg Med Chem 17: 4866-72 (2009)


Article DOI: 10.1016/j.bmc.2009.06.021
BindingDB Entry DOI: 10.7270/Q2JM29P7
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50298818
PNG
((R)-5-(3-(4',5-dimethoxybiphenyl-3-yl)but-1-ynyl)-...)
Show SMILES COc1ccc(cc1)-c1cc(OC)cc(c1)[C@@H](C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1/C23H24N4O2/c1-14(5-10-21-15(2)26-23(25)27-22(21)24)17-11-18(13-20(12-17)29-4)16-6-8-19(28-3)9-7-16/h6-9,11-14H,1-4H3,(H4,24,25,26,27)/t14-/s2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Bioorg Med Chem 17: 4866-72 (2009)


Article DOI: 10.1016/j.bmc.2009.06.021
BindingDB Entry DOI: 10.7270/Q2JM29P7
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50298809
PNG
((+/-)-5-(3-(4',5-dimethoxybiphenyl-3-yl)but-1-ynyl...)
Show SMILES COc1ccc(cc1)-c1cc(OC)cc(c1)C(C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1/C23H24N4O2/c1-14(5-10-21-15(2)26-23(25)27-22(21)24)17-11-18(13-20(12-17)29-4)16-6-8-19(28-3)9-7-16/h6-9,11-14H,1-4H3,(H4,24,25,26,27)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Bioorg Med Chem 17: 4866-72 (2009)


Article DOI: 10.1016/j.bmc.2009.06.021
BindingDB Entry DOI: 10.7270/Q2JM29P7
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50298820
PNG
((R)-5-(3-(2-methoxy-2',6'-dimethylbiphenyl-4-yl)bu...)
Show SMILES COc1cc(ccc1-c1c(C)cccc1C)[C@@H](C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1/C24H26N4O/c1-14(9-11-19-17(4)27-24(26)28-23(19)25)18-10-12-20(21(13-18)29-5)22-15(2)7-6-8-16(22)3/h6-8,10,12-14H,1-5H3,(H4,25,26,27,28)/t14-/s2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 32n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Bioorg Med Chem 17: 4866-72 (2009)


Article DOI: 10.1016/j.bmc.2009.06.021
BindingDB Entry DOI: 10.7270/Q2JM29P7
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50298821
PNG
((S)-5-(3-(2-methoxy-2',6'-dimethylbiphenyl-4-yl)bu...)
Show SMILES COc1cc(ccc1-c1c(C)cccc1C)[C@H](C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1/C24H26N4O/c1-14(9-11-19-17(4)27-24(26)28-23(19)25)18-10-12-20(21(13-18)29-5)22-15(2)7-6-8-16(22)3/h6-8,10,12-14H,1-5H3,(H4,25,26,27,28)/t14-/s2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 32n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Bioorg Med Chem 17: 4866-72 (2009)


Article DOI: 10.1016/j.bmc.2009.06.021
BindingDB Entry DOI: 10.7270/Q2JM29P7
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM25824
PNG
(5-{3-[4-(2,6-dimethylphenyl)-3-methoxyphenyl]but-1...)
Show SMILES COc1cc(ccc1-c1c(C)cccc1C)C(C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1/C24H26N4O/c1-14(9-11-19-17(4)27-24(26)28-23(19)25)18-10-12-20(21(13-18)29-5)22-15(2)7-6-8-16(22)3/h6-8,10,12-14H,1-5H3,(H4,25,26,27,28)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 32n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Bioorg Med Chem 17: 4866-72 (2009)


Article DOI: 10.1016/j.bmc.2009.06.021
BindingDB Entry DOI: 10.7270/Q2JM29P7
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM25826
PNG
(5-[(3R)-3-(3-methoxy-5-phenylphenyl)but-1-yn-1-yl]...)
Show SMILES COc1cc(cc(c1)-c1ccccc1)[C@@H](C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1/C22H22N4O/c1-14(9-10-20-15(2)25-22(24)26-21(20)23)17-11-18(13-19(12-17)27-3)16-7-5-4-6-8-16/h4-8,11-14H,1-3H3,(H4,23,24,25,26)/t14-/s2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 33n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Bioorg Med Chem 17: 4866-72 (2009)


Article DOI: 10.1016/j.bmc.2009.06.021
BindingDB Entry DOI: 10.7270/Q2JM29P7
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50298804
PNG
((+/-)-6-methyl-5-(4-methyl-3-(3,4,5-trimethoxyphen...)
Show SMILES COc1cc(cc(OC)c1OC)C(C#Cc1c(C)nc(N)nc1N)C(C)C
Show InChI InChI=1/C20H26N4O3/c1-11(2)14(7-8-15-12(3)23-20(22)24-19(15)21)13-9-16(25-4)18(27-6)17(10-13)26-5/h9-11,14H,1-6H3,(H4,21,22,23,24)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 33n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Bioorg Med Chem 17: 4866-72 (2009)


Article DOI: 10.1016/j.bmc.2009.06.021
BindingDB Entry DOI: 10.7270/Q2JM29P7
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50298802
PNG
((+/-)-5-(3-(4'-tert-butyl-5-methoxybiphenyl-3-yl)b...)
Show SMILES COc1cc(cc(c1)-c1ccc(cc1)C(C)(C)C)C(C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1/C26H30N4O/c1-16(7-12-23-17(2)29-25(28)30-24(23)27)19-13-20(15-22(14-19)31-6)18-8-10-21(11-9-18)26(3,4)5/h8-11,13-16H,1-6H3,(H4,27,28,29,30)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 34n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Bioorg Med Chem 17: 4866-72 (2009)


Article DOI: 10.1016/j.bmc.2009.06.021
BindingDB Entry DOI: 10.7270/Q2JM29P7
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50298822
PNG
((R)-5-(3-(4'-tert-butyl-5-methoxybiphenyl-3-yl)but...)
Show SMILES COc1cc(cc(c1)-c1ccc(cc1)C(C)(C)C)[C@@H](C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1/C26H30N4O/c1-16(7-12-23-17(2)29-25(28)30-24(23)27)19-13-20(15-22(14-19)31-6)18-8-10-21(11-9-18)26(3,4)5/h8-11,13-16H,1-6H3,(H4,27,28,29,30)/t16-/s2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 34n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Bioorg Med Chem 17: 4866-72 (2009)


Article DOI: 10.1016/j.bmc.2009.06.021
BindingDB Entry DOI: 10.7270/Q2JM29P7
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50298823
PNG
((S)-5-(3-(3'-tert-butyl-5-methoxybiphenyl-3-yl)but...)
Show SMILES COc1cc(cc(c1)-c1ccc(cc1)C(C)(C)C)[C@H](C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1/C26H30N4O/c1-16(7-12-23-17(2)29-25(28)30-24(23)27)19-13-20(15-22(14-19)31-6)18-8-10-21(11-9-18)26(3,4)5/h8-11,13-16H,1-6H3,(H4,27,28,29,30)/t16-/s2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 34n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Bioorg Med Chem 17: 4866-72 (2009)


Article DOI: 10.1016/j.bmc.2009.06.021
BindingDB Entry DOI: 10.7270/Q2JM29P7
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM25827
PNG
(5-[(3S)-3-(3-methoxy-5-phenylphenyl)but-1-yn-1-yl]...)
Show SMILES COc1cc(cc(c1)-c1ccccc1)[C@H](C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1/C22H22N4O/c1-14(9-10-20-15(2)25-22(24)26-21(20)23)17-11-18(13-19(12-17)27-3)16-7-5-4-6-8-16/h4-8,11-14H,1-3H3,(H4,23,24,25,26)/t14-/s2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 37n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Bioorg Med Chem 17: 4866-72 (2009)


Article DOI: 10.1016/j.bmc.2009.06.021
BindingDB Entry DOI: 10.7270/Q2JM29P7
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50298824
PNG
((R)-5-(3-(2',6'-diisopropyl-5-methoxybiphenyl-3-yl...)
Show SMILES COc1cc(cc(c1)-c1c(cccc1C(C)C)C(C)C)[C@@H](C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1/C28H34N4O/c1-16(2)23-9-8-10-24(17(3)4)26(23)21-13-20(14-22(15-21)33-7)18(5)11-12-25-19(6)31-28(30)32-27(25)29/h8-10,13-18H,1-7H3,(H4,29,30,31,32)/t18-/s2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 38n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Bioorg Med Chem 17: 4866-72 (2009)


Article DOI: 10.1016/j.bmc.2009.06.021
BindingDB Entry DOI: 10.7270/Q2JM29P7
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50298825
PNG
((S)-5-(3-(2',6'-diisopropyl-5-methoxybiphenyl-3-yl...)
Show SMILES COc1cc(cc(c1)-c1c(cccc1C(C)C)C(C)C)[C@H](C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1/C28H34N4O/c1-16(2)23-9-8-10-24(17(3)4)26(23)21-13-20(14-22(15-21)33-7)18(5)11-12-25-19(6)31-28(30)32-27(25)29/h8-10,13-18H,1-7H3,(H4,29,30,31,32)/t18-/s2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 38n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Bioorg Med Chem 17: 4866-72 (2009)


Article DOI: 10.1016/j.bmc.2009.06.021
BindingDB Entry DOI: 10.7270/Q2JM29P7
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM25821
PNG
(5-(3-{3-[2,6-bis(propan-2-yl)phenyl]-5-methoxyphen...)
Show SMILES COc1cc(cc(c1)-c1c(cccc1C(C)C)C(C)C)C(C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1/C28H34N4O/c1-16(2)23-9-8-10-24(17(3)4)26(23)21-13-20(14-22(15-21)33-7)18(5)11-12-25-19(6)31-28(30)32-27(25)29/h8-10,13-18H,1-7H3,(H4,29,30,31,32)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 38n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Bioorg Med Chem 17: 4866-72 (2009)


Article DOI: 10.1016/j.bmc.2009.06.021
BindingDB Entry DOI: 10.7270/Q2JM29P7
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50298827
PNG
((S)-5-(3-(2',6'-diisopropyl-2-methoxybiphenyl-4-yl...)
Show SMILES COc1cc(ccc1-c1c(cccc1C(C)C)C(C)C)[C@H](C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1/C28H34N4O/c1-16(2)21-9-8-10-22(17(3)4)26(21)24-14-12-20(15-25(24)33-7)18(5)11-13-23-19(6)31-28(30)32-27(23)29/h8-10,12,14-18H,1-7H3,(H4,29,30,31,32)/t18-/s2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 41n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Bioorg Med Chem 17: 4866-72 (2009)


Article DOI: 10.1016/j.bmc.2009.06.021
BindingDB Entry DOI: 10.7270/Q2JM29P7
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50298826
PNG
((R)-5-(3-(2',6'-diisopropyl-2-methoxybiphenyl-4-yl...)
Show SMILES COc1cc(ccc1-c1c(cccc1C(C)C)C(C)C)[C@@H](C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1/C28H34N4O/c1-16(2)21-9-8-10-22(17(3)4)26(21)24-14-12-20(15-25(24)33-7)18(5)11-13-23-19(6)31-28(30)32-27(23)29/h8-10,12,14-18H,1-7H3,(H4,29,30,31,32)/t18-/s2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 41n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Bioorg Med Chem 17: 4866-72 (2009)


Article DOI: 10.1016/j.bmc.2009.06.021
BindingDB Entry DOI: 10.7270/Q2JM29P7
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM25825
PNG
(5-(3-{4-[2,6-bis(propan-2-yl)phenyl]-3-methoxyphen...)
Show SMILES COc1cc(ccc1-c1c(cccc1C(C)C)C(C)C)C(C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1/C28H34N4O/c1-16(2)21-9-8-10-22(17(3)4)26(21)24-14-12-20(15-25(24)33-7)18(5)11-13-23-19(6)31-28(30)32-27(23)29/h8-10,12,14-18H,1-7H3,(H4,29,30,31,32)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 41n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Bioorg Med Chem 17: 4866-72 (2009)


Article DOI: 10.1016/j.bmc.2009.06.021
BindingDB Entry DOI: 10.7270/Q2JM29P7
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50298832
PNG
((R)-6-methyl-5-(3-(3,4,5-trimethoxyphenyl)pent-1-y...)
Show SMILES CC[C@@H](C#Cc1c(C)nc(N)nc1N)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1/C19H24N4O3/c1-6-12(7-8-14-11(2)22-19(21)23-18(14)20)13-9-15(24-3)17(26-5)16(10-13)25-4/h9-10,12H,6H2,1-5H3,(H4,20,21,22,23)/t12-/s2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 45n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Bioorg Med Chem 17: 4866-72 (2009)


Article DOI: 10.1016/j.bmc.2009.06.021
BindingDB Entry DOI: 10.7270/Q2JM29P7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM25819
PNG
(5-{3-[3-methoxy-5-(2-methylphenyl)phenyl]but-1-yn-...)
Show SMILES COc1cc(cc(c1)-c1ccccc1C)C(C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1/C23H24N4O/c1-14(9-10-21-16(3)26-23(25)27-22(21)24)17-11-18(13-19(12-17)28-4)20-8-6-5-7-15(20)2/h5-8,11-14H,1-4H3,(H4,24,25,26,27)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 45n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Bioorg Med Chem 17: 4866-72 (2009)


Article DOI: 10.1016/j.bmc.2009.06.021
BindingDB Entry DOI: 10.7270/Q2JM29P7
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM26520
PNG
(5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-propyl...)
Show SMILES CCCc1nc(N)nc(N)c1C#CCc1cc(OC)ccc1OC
Show InChI InChI=1S/C18H22N4O2/c1-4-6-15-14(17(19)22-18(20)21-15)8-5-7-12-11-13(23-2)9-10-16(12)24-3/h9-11H,4,6-7H2,1-3H3,(H4,19,20,21,22)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 45n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Bioorg Med Chem 17: 4866-72 (2009)


Article DOI: 10.1016/j.bmc.2009.06.021
BindingDB Entry DOI: 10.7270/Q2JM29P7
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50298803
PNG
((+/-)-6-methyl-5-(3-(3,4,5-trimethoxyphenyl)pent-1...)
Show SMILES CCC(C#Cc1c(C)nc(N)nc1N)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1/C19H24N4O3/c1-6-12(7-8-14-11(2)22-19(21)23-18(14)20)13-9-15(24-3)17(26-5)16(10-13)25-4/h9-10,12H,6H2,1-5H3,(H4,20,21,22,23)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 45n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Bioorg Med Chem 17: 4866-72 (2009)


Article DOI: 10.1016/j.bmc.2009.06.021
BindingDB Entry DOI: 10.7270/Q2JM29P7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50298833
PNG
((S)-6-methyl-5-(3-(3,4,5-trimethoxyphenyl)pent-1-y...)
Show SMILES CC[C@H](C#Cc1c(C)nc(N)nc1N)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1/C19H24N4O3/c1-6-12(7-8-14-11(2)22-19(21)23-18(14)20)13-9-15(24-3)17(26-5)16(10-13)25-4/h9-10,12H,6H2,1-5H3,(H4,20,21,22,23)/t12-/s2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 45n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Bioorg Med Chem 17: 4866-72 (2009)


Article DOI: 10.1016/j.bmc.2009.06.021
BindingDB Entry DOI: 10.7270/Q2JM29P7
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM25820
PNG
(5-{3-[3-(2,6-dimethylphenyl)-5-methoxyphenyl]but-1...)
Show SMILES COc1cc(cc(c1)-c1c(C)cccc1C)C(C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1/C24H26N4O/c1-14(9-10-21-17(4)27-24(26)28-23(21)25)18-11-19(13-20(12-18)29-5)22-15(2)7-6-8-16(22)3/h6-8,11-14H,1-5H3,(H4,25,26,27,28)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 45n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Bioorg Med Chem 17: 4866-72 (2009)


Article DOI: 10.1016/j.bmc.2009.06.021
BindingDB Entry DOI: 10.7270/Q2JM29P7
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50298831
PNG
((S)-5-(3-(5-methoxy-2'-methylbiphenyl-3-yl)but-1-y...)
Show SMILES COc1cc(cc(c1)-c1ccccc1C)[C@H](C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1/C23H24N4O/c1-14(9-10-21-16(3)26-23(25)27-22(21)24)17-11-18(13-19(12-17)28-4)20-8-6-5-7-15(20)2/h5-8,11-14H,1-4H3,(H4,24,25,26,27)/t14-/s2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 45n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Bioorg Med Chem 17: 4866-72 (2009)


Article DOI: 10.1016/j.bmc.2009.06.021
BindingDB Entry DOI: 10.7270/Q2JM29P7
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50298830
PNG
((R)-5-(3-(5-methoxy-2'-methylbiphenyl-3-yl)but-1-y...)
Show SMILES COc1cc(cc(c1)-c1ccccc1C)[C@@H](C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1/C23H24N4O/c1-14(9-10-21-16(3)26-23(25)27-22(21)24)17-11-18(13-19(12-17)28-4)20-8-6-5-7-15(20)2/h5-8,11-14H,1-4H3,(H4,24,25,26,27)/t14-/s2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 45n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Bioorg Med Chem 17: 4866-72 (2009)


Article DOI: 10.1016/j.bmc.2009.06.021
BindingDB Entry DOI: 10.7270/Q2JM29P7
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50298829
PNG
((S)-5-(3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)bu...)
Show SMILES COc1cc(cc(c1)-c1c(C)cccc1C)[C@H](C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1/C24H26N4O/c1-14(9-10-21-17(4)27-24(26)28-23(21)25)18-11-19(13-20(12-18)29-5)22-15(2)7-6-8-16(22)3/h6-8,11-14H,1-5H3,(H4,25,26,27,28)/t14-/s2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 45n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Bioorg Med Chem 17: 4866-72 (2009)


Article DOI: 10.1016/j.bmc.2009.06.021
BindingDB Entry DOI: 10.7270/Q2JM29P7
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50298828
PNG
((R)-5-(3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)bu...)
Show SMILES COc1cc(cc(c1)-c1c(C)cccc1C)[C@@H](C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1/C24H26N4O/c1-14(9-10-21-17(4)27-24(26)28-23(21)25)18-11-19(13-20(12-18)29-5)22-15(2)7-6-8-16(22)3/h6-8,11-14H,1-5H3,(H4,25,26,27,28)/t14-/s2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 45n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Bioorg Med Chem 17: 4866-72 (2009)


Article DOI: 10.1016/j.bmc.2009.06.021
BindingDB Entry DOI: 10.7270/Q2JM29P7
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50298835
PNG
((S)-5-(3-methoxy-3-(5-methoxy-2-methylphenyl)prop-...)
Show SMILES CO[C@@H](C#Cc1c(C)nc(N)nc1N)c1cc(OC)ccc1C
Show InChI InChI=1/C17H20N4O2/c1-10-5-6-12(22-3)9-14(10)15(23-4)8-7-13-11(2)20-17(19)21-16(13)18/h5-6,9,15H,1-4H3,(H4,18,19,20,21)/t15-/s2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 48n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Bioorg Med Chem 17: 4866-72 (2009)


Article DOI: 10.1016/j.bmc.2009.06.021
BindingDB Entry DOI: 10.7270/Q2JM29P7
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50298808
PNG
((+/-)-5-(3-(2,5-dimethoxyphenyl)but-1-ynyl)-6-meth...)
Show SMILES COc1ccc(OC)c(c1)C(C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1/C17H20N4O2/c1-10(14-9-12(22-3)6-8-15(14)23-4)5-7-13-11(2)20-17(19)21-16(13)18/h6,8-10H,1-4H3,(H4,18,19,20,21)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 48n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Bioorg Med Chem 17: 4866-72 (2009)


Article DOI: 10.1016/j.bmc.2009.06.021
BindingDB Entry DOI: 10.7270/Q2JM29P7
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50298834
PNG
((R)-5-(3-methoxy-3-(5-methoxy-2-methylphenyl)prop-...)
Show SMILES CO[C@H](C#Cc1c(C)nc(N)nc1N)c1cc(OC)ccc1C
Show InChI InChI=1/C17H20N4O2/c1-10-5-6-12(22-3)9-14(10)15(23-4)8-7-13-11(2)20-17(19)21-16(13)18/h5-6,9,15H,1-4H3,(H4,18,19,20,21)/t15-/s2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 48n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Bioorg Med Chem 17: 4866-72 (2009)


Article DOI: 10.1016/j.bmc.2009.06.021
BindingDB Entry DOI: 10.7270/Q2JM29P7
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM25818
PNG
(5-[3-(3-methoxy-5-phenylphenyl)but-1-yn-1-yl]-6-me...)
Show SMILES COc1cc(cc(c1)-c1ccccc1)C(C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1/C22H22N4O/c1-14(9-10-20-15(2)25-22(24)26-21(20)23)17-11-18(13-19(12-17)27-3)16-7-5-4-6-8-16/h4-8,11-14H,1-3H3,(H4,23,24,25,26)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 55n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Bioorg Med Chem 17: 4866-72 (2009)


Article DOI: 10.1016/j.bmc.2009.06.021
BindingDB Entry DOI: 10.7270/Q2JM29P7
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50298837
PNG
((S)-5-(3-(2-methoxybiphenyl-4-yl)but-1-ynyl)-6-met...)
Show SMILES COc1cc(ccc1-c1ccccc1)[C@H](C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1/C22H22N4O/c1-14(9-11-18-15(2)25-22(24)26-21(18)23)17-10-12-19(20(13-17)27-3)16-7-5-4-6-8-16/h4-8,10,12-14H,1-3H3,(H4,23,24,25,26)/t14-/s2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 55n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Bioorg Med Chem 17: 4866-72 (2009)


Article DOI: 10.1016/j.bmc.2009.06.021
BindingDB Entry DOI: 10.7270/Q2JM29P7
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50298799
PNG
((+/-)-5-(3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)...)
Show SMILES COc1cc(CC#Cc2c(C)nc(N)nc2N)cc(c1)-c1c(C)cccc1C
Show InChI InChI=1S/C23H24N4O/c1-14-7-5-8-15(2)21(14)18-11-17(12-19(13-18)28-4)9-6-10-20-16(3)26-23(25)27-22(20)24/h5,7-8,11-13H,9H2,1-4H3,(H4,24,25,26,27)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 55n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Bioorg Med Chem 17: 4866-72 (2009)


Article DOI: 10.1016/j.bmc.2009.06.021
BindingDB Entry DOI: 10.7270/Q2JM29P7
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50298836
PNG
((R)-5-(3-(2-methoxybiphenyl-4-yl)but-1-ynyl)-6-met...)
Show SMILES COc1cc(ccc1-c1ccccc1)[C@@H](C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1/C22H22N4O/c1-14(9-11-18-15(2)25-22(24)26-21(18)23)17-10-12-19(20(13-17)27-3)16-7-5-4-6-8-16/h4-8,10,12-14H,1-3H3,(H4,23,24,25,26)/t14-/s2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 55n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Bioorg Med Chem 17: 4866-72 (2009)


Article DOI: 10.1016/j.bmc.2009.06.021
BindingDB Entry DOI: 10.7270/Q2JM29P7
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM25822
PNG
(5-[3-(3-methoxy-4-phenylphenyl)but-1-yn-1-yl]-6-me...)
Show SMILES COc1cc(ccc1-c1ccccc1)C(C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1/C22H22N4O/c1-14(9-11-18-15(2)25-22(24)26-21(18)23)17-10-12-19(20(13-17)27-3)16-7-5-4-6-8-16/h4-8,10,12-14H,1-3H3,(H4,23,24,25,26)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 55n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Bioorg Med Chem 17: 4866-72 (2009)


Article DOI: 10.1016/j.bmc.2009.06.021
BindingDB Entry DOI: 10.7270/Q2JM29P7
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM26521
PNG
(6-ethyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-y...)
Show SMILES CCc1nc(N)nc(N)c1C#CCc1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C18H22N4O3/c1-5-13-12(17(19)22-18(20)21-13)8-6-7-11-9-14(23-2)16(25-4)15(10-11)24-3/h9-10H,5,7H2,1-4H3,(H4,19,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 57n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human DHFR assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Bioorg Med Chem 17: 4866-72 (2009)


Article DOI: 10.1016/j.bmc.2009.06.021
BindingDB Entry DOI: 10.7270/Q2JM29P7
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 118 total )  |  Next  |  Last  >>
Jump to: